SCHEMBL7513644

SCHEMBL7513644

CCOC(=O)C(C)(C)c1cc(Br)c2[nH]c(-c3cc(C)cc(C)c3)c(C(C)CN)c2c1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.47
CACNA1B Q00975 2/20 0.42
PTGES O14684 1/20 0.38
ALOX5 P09917 1/20 0.38
GNRHR P30968 10/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7513636 1.00 CNR2 (0.47) CNR2CACNA1BPTGESALOX5GNRHR
SCHEMBL7515938 0.82 CACNA1B (0.52) CNR2CACNA1BGNRHR
SCHEMBL6975682 0.82 CACNA1B (0.52) CNR2CACNA1BGNRHR
SCHEMBL7512794 0.69 GNRHR (0.52) CACNA1BGNRHR
SCHEMBL7512785 0.69 GNRHR (0.52) CACNA1BGNRHR
SCHEMBL13812366 0.69 CACNA1B (0.47) CNR2CACNA1BGNRHR
SCHEMBL8161881 0.69 CACNA1B (0.70) CNR2CACNA1B
SCHEMBL7544412 0.68 CACNA1B (0.49) CACNA1BGNRHR
SCHEMBL7544420 0.68 CACNA1B (0.49) CACNA1BGNRHR
SCHEMBL7855390 0.68 GNRHR (0.57) CACNA1BGNRHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1049472-A4 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO INC (US) 2002-04-03 EP disclosed
EP-1027046-A4 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO INC (US) 2002-04-03 EP disclosed
US-6211224-B1 AMINOALKYLINDOLE COMPOUNDS MERCK & CO., INC. 2001-04-03 US disclosed
EP-1011667-A4 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO INC (US) 2001-03-28 EP disclosed
EP-1062215-A4 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO INC (US) 2001-03-14 EP disclosed
EP-1068195-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE Merck & Co., Inc. (US) 2001-01-17 EP disclosed
EP-1062215-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE Merck & Co., Inc. (US) 2000-12-27 EP disclosed
US-6159989-A Antagonists of gonadotropin releasing hormone MERCK & CO., INC. (US) 2000-12-12 US disclosed
US-6159975-A Antagonists of gonadotropin releasing hormone MERCK & CO., INC. (US) 2000-12-12 US disclosed
EP-1049472-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE Merck & Co., Inc. (US) 2000-11-08 EP disclosed
EP-1027046-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE Merck & Co., Inc. (US) 2000-08-16 EP disclosed
EP-1011667-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE Merck & Co., Inc. (a New Jersey corp.) (US) 2000-06-28 EP disclosed
US-6017944-A TREATING A VARIETY OF SEX-HORMONE RELATED AND OTHER CONDITIONS IN BOTH MEN AND WOMEN; PREVENTING PREGNANCY, TREATING LUPUS ERYTHEMATOSIS, IRRITABLE BOWEL SYNDROME, PREMENSTRUAL SYNDROME, HIRSUTISM, SLEEP DISORDERS MERCK & CO., INC. (US) 2000-01-25 US disclosed
US-5985901-A TREATMENT OF A VARIETY OF SEX-HORMONE RELATED AND OTHER CONDITIONS IN BOTH MEN AND WOMEN MERCK & CO., INC. (US) 1999-11-16 US disclosed
WO-1999041251-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO., INC. (US) 1999-08-19 WO disclosed
WO-1999041252-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO., INC. (US) 1999-08-19 WO disclosed
WO-1999021557-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO., INC. (US) 1999-05-06 WO disclosed
WO-1999021553-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO., INC. (US) 1999-05-06 WO disclosed
WO-1998055119-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO., INC. (US) 1998-12-10 WO disclosed